Related papers: Symmetry-adapted modeling for molecules and crysta…
We propose a framework that connects the spatial symmetries of a metasurface to its material parameter tensors and its scattering matrix. This provides a simple yet effective way to effortlessly determine properties of a metasurface…
A crystal lattice, when confined to the surface of a cylinder, must have a periodic structure that is commensurate with the cylinder circumference. This constraint can frustrate the system, leading to oblique crystal lattices or to…
Symmetry is an implicit objective in structural form-finding that often reconciles efficiency and aesthetics. This paper identifies the symmetry of polyhedral diagrams in three-dimensional graphic statics (3DGS) as point groups and…
The relation between the properties of a specific crystallographic site and the properties of the full crystal is discussed by using spherical tensors. The concept of spherical tensors is introduced and the way it transforms under the…
We present a symmetry-adapted extension of sample-based quantum diagonalization (SQD) that rigorously embeds space-group symmetry into the many-body subspace sampled by quantum hardware. The method is benchmarked on the two-leg ladder…
In the area of topological and geometric treatment of phase transitions and symmetry breaking in Hamiltonian systems, in a recent paper some general sufficient conditions for these phenomena in $\mathbb{Z}_2$-symmetric systems (i.e.…
We review the ab initio symmetry-adapted (SA) framework for determining the structure of stable and unstable nuclei, along with related electroweak, decay and reaction processes. This framework utilizes the dominant symmetry of nuclear…
Determination of the symmetry profile of structures is a persistent challenge in materials science. Results often vary amongst standard packages, hindering autonomous materials development by requiring continuous user attention and educated…
Tight-binding models can accurately replicate the band structure and topology of crystalline systems. They have been widely used in solid-state physics due to their versatility and low computational cost. It is straightforward to build an…
We carry out an extended symmetry analysis of the multi-layer quasi-geostrophic problem. This model is given by a system of an arbitrary number of coupled barotropic vorticity equations. Conservation laws and a Hamiltonian structure for the…
The molecular dynamics method is applied to simulate the recrystallization of an amorphous/crystalline silicon interface. The atomic structure of the amorphous material is constructed with the method of Wooten, Winer, and Weaire. The…
This work introduces a novel, fully robust and highly-scalable, $h$-adaptive aggregated unfitted finite element method for large-scale interface elliptic problems. The new method is based on a recent distributed-memory implementation of the…
We propose a way of obtaining effective low energy Hubbard-like model Hamiltonians from ab initio Quantum Monte Carlo calculations for molecular and extended systems. The Hamiltonian parameters are fit to best match the ab initio two-body…
We focus on a Hamiltonian system with a continuous symmetry, and dynamics that takes place on a presymplectic manifold. We explain how the symmetry can become spontaneously broken by a time crystal, that we define as the minimum of the…
Assur graphs are a tool originally developed by mechanical engineers to decompose mechanisms for simpler analysis and synthesis. Recent work has connected these graphs to strongly directed graphs, and decompositions of the pinned rigidity…
We introduce a homogenization approach to characterize the dynamical response of a generic dispersive spacetime crystal in the long-wavelength limit. The theory is applied to dispersive spacetime platforms with a travelling-wave modulation.…
Soft particles such as microgels and core-shell particles can undergo significant and anisotropic deformations when adsorbed to a liquid interface. This, in turn, leads to a complex phase behavior upon compression. Here we develop a…
Exact expressions for the parameters of Stevens Hamiltonian are derived within the framework of a specific model that assumes uniform character of charge density distribution in a certain direction over crystalline lattice. The new model is…
This work outlines a diffuse interface method for the study of fracture and fragmentation in ductile metals at high strain-rates in Eulerian finite volume simulations. The work is based on an existing diffuse interface method capable of…
Band theory provides the foundation for understanding electronic structure in crystalline materials, but its reliance on exact translational symmetry limits its applicability to systems with defects, disorder, incommensurate modulations, or…